tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))

C48H48Fe2N12 — CID 139115232

IUPACtetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))
SMILES[Fe+2].[Fe+2].c1ccc(C[N-]Cc2ccccn2)nc1.c1ccc(C[N-]Cc2ccccn2)nc1.c1ccc(C[N-]Cc2ccccn2)nc1.c1ccc(C[N-]Cc2ccccn2)nc1
InChIInChI=1S/4C12H12N3.2Fe/c4*1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12;;/h4*1-8H,9-10H2;;/q4*-1;2*+2
InChIKeyBZYLIIVKOSCHOH-UHFFFAOYSA-N
MW904.69 g/mol
LogP10.20
Rot. Bonds16

About tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))

tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+)) (PubChem CID 139115232) has the molecular formula C48H48Fe2N12 and a molecular weight of 904.69 g/mol. Its IUPAC name is tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+)).

Molecular Properties

Compound Nametetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))
PubChem CID139115232
Molecular FormulaC48H48Fe2N12
Molecular Weight904.69 g/mol
Exact Mass904.28
IUPAC Nametetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))
SMILES[Fe+2].[Fe+2].c1ccc(C[N-]Cc2ccccn2)nc1.c1ccc(C[N-]Cc2ccccn2)nc1.c1ccc(C[N-]Cc2ccccn2)nc1.c1ccc(C[N-]Cc2ccccn2)nc1
InChIInChI=1S/4C12H12N3.2Fe/c4*1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12;;/h4*1-8H,9-10H2;;/q4*-1;2*+2
InChIKeyBZYLIIVKOSCHOH-UHFFFAOYSA-N
XLogP10.20
TPSA159.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.69
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))?
The IUPAC name of tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+)) (CID 139115232) is tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+)).
What is the SMILES notation for tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))?
The canonical SMILES for tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+)) is [Fe+2].[Fe+2].c1ccc(C[N-]Cc2ccccn2)nc1.c1ccc(C[N-]Cc2ccccn2)nc1.c1ccc(C[N-]Cc2ccccn2)nc1.c1ccc(C[N-]Cc2ccccn2)nc1.
What is the InChIKey of tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))?
The InChIKey is BZYLIIVKOSCHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H12N3.2Fe/c4*1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12;;/h4*1-8H,9-10H2;;/q4*-1;2*+2.
What are the key properties of tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))?
tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+)) has a molecular weight of 904.69 g/mol, XLogP of 10.20, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+)) is sourced from PubChem (CID 139115232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).